General Information of the Compound
| Compound ID |
CP0538267
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| Compound Name |
1-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)pyrrolidin-3-ol
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| Structure |
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| Formula |
C22H26Cl2N2O3S
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| Molecular Weight |
469.434
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| Canonical SMILES |
Cc1cccc(Cl)c1S(=O)(=O)N1CCC(CC1)N1CCC(O)(C1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H26Cl2N2O3S/c1-16-3-2-4-20(24)21(16)30(28,29)26-12-9-19(10-13-26)25-14-11-22(27,15-25)17-5-7-18(23)8-6-17/h2-8,19,27H,9-15H2,1H3
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| InChIKey |
GACIWXWCIPVUAH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound